[1-[(2-methylquinolin-4-yl)amino]-1-oxidanylidene-butan-2-yl] 8-(1,3-benzothiazol-2-yl)naphthalene-1-carboxylate

Systemtic Name: [1-[(2-methylquinolin-4-yl)amino]-1-oxidanylidene-butan-2-yl] 8-(1,3-benzothiazol-2-yl)naphthalene-1-carboxylate Openeye Name: 1-[(2-methyl-4-quinolyl)carbamoyl]propyl 8-(1,3-benzothiazol-2-yl)naphthalene-1-carboxylate CAS Name: 8-(1,3-benzothiazol-2-yl)-1-naphthalenecarboxylic acid [1-[(2-methyl-4-quinolinyl)amino]-1-oxobutan-2-yl] ester IUPAC Name: [1-[(2-methylquinolin-4-yl)amino]-1-oxobutan-2-yl] 8-(1,3-benzothiazol-2-yl)naphthalene-1-carboxylate Traditional Name: 8-(1,3-benzothiazol-2-yl)naphthalene-1-carboxylic acid 1-[(2-methyl-4-quinolyl)carbamoyl]propyl ester Formula: C32H25N3O3S MolecularWeight: 531.6242

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC(=NC2=CC=CC=C21)C)OC(=O)C3=CC=CC4=C3C(=CC=C4)C5=NC6=CC=CC=C6S5

Isomeric SMILES

CCC(C(=O)NC1=CC(=NC2=CC=CC=C21)C)OC(=O)C3=CC=CC4=C3C(=CC=C4)C5=NC6=CC=CC=C6S5

InChI

InChI=1S/C32H25N3O3S/c1-3-27(30(36)34-26-18-19(2)33-24-15-5-4-12-21(24)26)38-32(37)23-14-9-11-20-10-8-13-22(29(20)23)31-35-25-16-6-7-17-28(25)39-31/h4-18,27H,3H2,1-2H3,(H,33,34,36)